SCHEMBL3050102

SCHEMBL3050102

Clc1cncc(OCCOc2cncc(Cl)c2)c1

nearest known ligand 0.78

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 9/20 0.70
CHRNA4 P43681 9/20 0.70
CHRNB4 P30926 1/20 0.51
CHRNA3 P32297 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7237076 0.90 CHRNB2 (0.64) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL2431234 0.88 CHRNB2 (0.62) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL27475782 0.88 CHRNB2 (0.62) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL4311522 0.88 CHRNB2 (0.62) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL4930731 0.88 CHRNB2 (0.67) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL7098510 0.86 CHRNB2 (0.60) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL5658557 0.86 CHRNB2 (0.65) CHRNB2CHRNA4
SCHEMBL6602521 0.85 CHRNB2 (0.63) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL6748209 0.83 CHRNB2 (0.57) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL14300719 0.83 CHRNB2 (0.56) CHRNB2CHRNA4CHRNB4CHRNA3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100267739-A1 TREATMENT OF AFFECTIVE DISORDERS BY THE COMBINED ACTION OF A NICOTINIC RECEPTOR AGONIST AND A MONOAMINERGIC SUBSTANCE OLSEN GUNNAR M 2010-10-21 US disclosed
US-7307087-B2 Treatment of affective disorders by the combined action of a nicotinic receptor agonist and a monoaminergic substance NEUROSEARCH A/S (DK) 2007-12-11 US disclosed
US-20070265241-A1 TREATMENT OF AFFECTIVE DISORDERS BY THE COMBINED ACTION OF A NICOTINIC RECEPTOR AGONIST AND A MONOAMINERGIC SUBSTANCE OLSEN GUNNAR M 2007-11-15 US disclosed
US-7282494-B2 Heteroaryl diazacycloalkanes, their preparation and use NEUROSEARCH A/S (DK) 2007-10-16 US disclosed
EP-1757600-A2 Treatment of affective disorders by the combined action of a nicotinic receptor agonist and a monoaminergic substance NeuroSearch A/S (DK) 2007-02-28 EP disclosed
US-7064118-B2 Heteroaryl diazacycloalkanes, their preparation and use NEUROSEARCH A/S (DK) 2006-06-20 US disclosed
US-7060699-B2 Aryl and heteroaryl diazabicycloalkanes, their preparation and use NEUROSEARCH A/S (DK) 2006-06-13 US disclosed
US-20060100192-A1 Heteroaryl diazacycloalkanes, their preparation and use DANPET AB (SE) 2006-05-11 US disclosed
EP-1301514-B1 ARYL AND HETEROARYL DIAZABICYCLOALKANES, THEIR PREPARATION AND USE NEUROSEARCH AS (DK) 2005-01-26 EP disclosed
US-20040092508-A1 Treatment of affective disorders by the combined action of a nicotinic receptor agonist and a monoaminergic substance ANIONA APS (DK) 2004-05-13 US disclosed
EP-1358177-A2 TREATMENT OF AFFECTIVE DISORDERS BY THE COMBINED ACTION OF A NICOTINIC RECEPTOR AGONIST AND A MONOAMINERGIC SUBSTANCE NeuroSearch A/S (DK) 2003-11-05 EP disclosed
US-20030176416-A1 Aryl and heteroaryl diazabicycloalkanes, their preparation and use NEUROSEARCH A/S (DK) 2003-09-18 US disclosed
EP-1175416-B1 HETEROARYL DIAZACYCLOALKANES, THEIR PREPARATION AND USE NEUROSEARCH AS (DK) 2003-07-16 EP disclosed
WO-2002030405-A2 TREATMENT OF AFFECTIVE DISORDERS BY THE COMBINED ACTION OF A NICOTINIC RECEPTOR AGONIST AND A MONOAMINERGIC SUBSTANCE NEUROSEARCH A/S (DK) 2002-04-18 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030176416-A1 Aryl and heteroaryl diazabicycloalkanes, their preparation and use CHRNA7, CHRNA5, CHRNA2 CHRNB2 6/4885CHRNA4 9/4885CHRNB4 11/4885
US-20070265241-A1 TREATMENT OF AFFECTIVE DISORDERS BY THE COMBINED ACTION OF A NICOTINIC RECEPTOR AGONIST AND A MONOAMINERGIC SUBSTANCE TAAR5, CHRNA5, CHRNA4 CHRNB2 15/4885CHRNA4 3/4885CHRNB4 18/4885
US-20040092508-A1 Treatment of affective disorders by the combined action of a nicotinic receptor agonist and a monoaminergic substance TAAR5, CHRNA5, CHRNA4 CHRNB2 15/4885CHRNA4 3/4885CHRNB4 18/4885
US-20060100192-A1 Heteroaryl diazacycloalkanes, their preparation and use CHRNA5, CHRNA7, CHRNA3 CHRNB2 10/4885CHRNA4 9/4885CHRNB4 17/4885
US-20100267739-A1 TREATMENT OF AFFECTIVE DISORDERS BY THE COMBINED ACTION OF A NICOTINIC RECEPTOR AGONIST AND A MONOAMINERGIC SUBSTANCE CHRNA10, CHRNA2, CHRNA7 CHRNB2 14/4885CHRNA4 5/4885CHRNB4 18/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.